(2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine

C17H23N3O — CID 29183731

IUPAC(2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine
SMILESCOC[C@@H]1CCCCN1Cc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H23N3O/c1-21-13-16-9-5-6-10-20(16)12-15-11-18-17(19-15)14-7-3-2-4-8-14/h2-4,7-8,11,16H,5-6,9-10,12-13H2,1H3,(H,18,19)/t16-/m0/s1
InChIKeyZKIAFYXCJDVJTD-INIZCTEOSA-N
MW285.39 g/mol
LogP3.08
Rot. Bonds5

About (2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine

(2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine (PubChem CID 29183731) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine
PubChem CID29183731
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine
SMILESCOC[C@@H]1CCCCN1Cc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H23N3O/c1-21-13-16-9-5-6-10-20(16)12-15-11-18-17(19-15)14-7-3-2-4-8-14/h2-4,7-8,11,16H,5-6,9-10,12-13H2,1H3,(H,18,19)/t16-/m0/s1
InChIKeyZKIAFYXCJDVJTD-INIZCTEOSA-N
XLogP3.08
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
CID 120767618
5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(2-phenylethynyl)-1,3-thiazole
CID 58227463
4-[[3-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 166363762
1-[(3-fluorophenyl)methyl]-2-(methoxymethyl)piperidine
CID 136545800
(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine
CID 141200367
[2-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 71150761
1-(4-methoxyphenyl)-2-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
CID 10237133
7-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,3-dimethyl-1H-indole
CID 156608116
4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol
CID 99956649
5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
CID 91838613
[3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120781260
4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 42287451

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine?
The IUPAC name of (2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine (CID 29183731) is (2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine is COC[C@@H]1CCCCN1Cc1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine?
The InChIKey is ZKIAFYXCJDVJTD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N3O/c1-21-13-16-9-5-6-10-20(16)12-15-11-18-17(19-15)14-7-3-2-4-8-14/h2-4,7-8,11,16H,5-6,9-10,12-13H2,1H3,(H,18,19)/t16-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine?
(2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine has a molecular weight of 285.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine is sourced from PubChem (CID 29183731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).